| SpectraBase Compound ID | 30TXYsQbAyv |
|---|---|
| InChI | InChI=1S/C20H22O3S/c1-3-4-6-11-19(20(21)17-9-7-5-8-10-17)24(22,23)18-14-12-16(2)13-15-18/h5,7-15H,3-4,6H2,1-2H3/b19-11- |
| InChIKey | DXBLLZGYSZKVLW-ODLFYWEKSA-N |
| Mol Weight | 342.45 g/mol |
| Molecular Formula | C20H22O3S |
| Exact Mass | 342.128966 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cr2QKA7sWK7 |
|---|---|
| Name | (Z)-1-Benzoyl-1-(p-tolylsulfonyl)-1-hexene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.128965739 u |
| Formula | C20H22O3S |
| InChI | InChI=1S/C20H22O3S/c1-3-4-6-11-19(20(21)17-9-7-5-8-10-17)24(22,23)18-14-12-16(2)13-15-18/h5,7-15H,3-4,6H2,1-2H3/b19-11- |
| InChIKey | DXBLLZGYSZKVLW-ODLFYWEKSA-N |
| Molecular Weight | 342.453 g/mol |
| SMILES | C(\C(S(C1=CC=C(C=C1)C)(=O)=O)=C\CCCC)(=O)C1=CC=CC=C1 |